| Compound Information | SONAR Target prediction | | Name: | MENTHOL(-) | | Unique Identifier: | SPE01503134 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 136.106 g/mol | | X log p: | -0.347 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(C)C1CCC(C)CC1O | | Class: | terpene | | Source: | Mentha piperita and other Mentha spp | | Therapeutics: | analgesic (topical), antipruritic agent | | Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00530 | | Logp: | 3.73 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
KAP123 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5786±0.00403051 |
| Normalized OD Score: sc h |
1.0314±0.00178769 |
| Z-Score: |
1.2622±0.167594 |
| p-Value: |
0.21006 |
| Z-Factor: |
-1.5045 |
| Fitness Defect: |
1.5604 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 14|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2007-11-09 YYYY-MM-DD | | Plate CH Control (+): | 0.0408±0.00079 | | Plate DMSO Control (-): | 0.55015±0.01324 | | Plate Z-Factor: | 0.9187 |
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| 7359282 |
(3S,5S,8R,9R,10S,13R,14S,17S)-17-[(2S,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7359284 |
(3S,5S,8R,9R,10S,13R,14S,17S)-17-[(2S,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7377442 |
(1R,2R,3S,4R,6R)-2,3,5,5,6-pentamethylnorbornan-2-ol |
| 7377444 |
(1R,2R,3S,4R,6S)-2,3,5,5,6-pentamethylnorbornan-2-ol |
| 7377676 |
(1R,2R,4R,6R)-2,5,5,6-tetramethylnorbornan-2-ol |
| 7377677 |
(1R,2R,4R,6S)-2,5,5,6-tetramethylnorbornan-2-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 4541 | Additional Members: 2 | Rows returned: 0 | |
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